data_10021 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 10021 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 ; Signal assignment and secondary structure analysis of H+-ATP synthase subunit c by magic-angle spinning solid-state NMR ; . . 10021 1 stop_ loop_ _Study_keyword.Study_ID _Study_keyword.Keyword _Study_keyword.Entry_ID _Study_keyword.Study_list_ID 1 'Fo subunit c' 10021 1 1 'MAS solid-state NMR' 10021 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10021 _Entry.Title ; Backbone and sidechain 13C and 15N Chemical Shift Assignments of H+-ATP synthase subunit c in the solid state ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-05-22 _Entry.Accession_date 2006-05-22 _Entry.Last_release_date 2007-06-13 _Entry.Original_release_date 2007-06-13 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLID-STATE _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Masatoshi Kobayashi . . . 10021 2 Yoh Matsuki . . . 10021 3 Ikuko Yumen . . . 10021 4 Toshimichi Fujiwara . . . 10021 5 Hideo Akutsu . . . 10021 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10021 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 247 10021 '15N chemical shifts' 52 10021 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2007-06-13 2006-05-22 original author . 10021 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 4146 . 10021 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10021 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17080295 _Citation.Full_citation ; Signal assignment and secondary structure analysis of a uniformly [13C, 15N]-labeled membrane protein, H +-ATP synthase subunit c, by magic-angle spinning solid-state NMR. ; _Citation.Title ; 13C and 15N chemical shift assignment of H+-ATP synthase subunit c in the solid state ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 36 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 279 _Citation.Page_last 293 _Citation.Year 2006 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Masatoshi Kobayashi . . . 10021 1 2 Yoh Matsuki . . . 10021 1 3 Ikuko Yumen . . . 10021 1 4 Toshimichi Fujiwara . . . 10021 1 5 Hideo Akutsu . . . 10021 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Fo subunit c' 10021 1 'MAS solid-state NMR' 10021 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10021 _Assembly.ID 1 _Assembly.Name 'FoF1 ATP synthase' _Assembly.BMRB_code . _Assembly.Number_of_components 8 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states yes _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID 'protein monomer' 10021 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'subunit c' 1 $subunit_c . . yes native no no . . . 10021 1 2 'subunit a' 2 . . . no . . . . . . 10021 1 3 'subunit b' 3 . . . no . . . . . . 10021 1 4 'subunit alpha' 4 . . . no . . . . . . 10021 1 5 'subunit beta' 5 . . . no . . . . . . 10021 1 6 'subunit gamma' 6 . . . no . . . . . . 10021 1 7 'subunit delta' 7 . . . no . . . . . . 10021 1 8 'subunit epsilon' 8 . . . no . . . . . . 10021 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'H+ transportation' 10021 1 stop_ loop_ _Assembly_keyword.Keyword _Assembly_keyword.Entry_ID _Assembly_keyword.Assembly_ID 'FoF1 ATP synthase' 10021 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_subunit_c _Entity.Sf_category entity _Entity.Sf_framecode subunit_c _Entity.Entry_ID 10021 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'subunit c' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MENLNMDLLYMAAAVMMGLA AIGAAIGIGILGGKFLEGAA RQPDLIPLLRTQFFIVMGLV DAIPMIAVGLGLYVMFAVA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 79 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15564 . subunit_c_of_E._coli_F1F0_ATP_synthas . . . . . 100.00 79 98.73 100.00 2.56e-43 . . . . 10021 1 2 no BMRB 4146 . "F1Fo ATP Synthase Subunit c" . . . . . 98.73 79 100.00 100.00 3.19e-43 . . . . 10021 1 3 no BMRB 4151 . "F1FO ATP Synthase Subunit c" . . . . . 98.73 79 100.00 100.00 3.19e-43 . . . . 10021 1 4 no PDB 1A91 . "Subunit C Of The F1fo Atp Synthase Of Escherichia Coli; Nmr, 10 Structures" . . . . . 100.00 79 100.00 100.00 6.73e-44 . . . . 10021 1 5 no PDB 1ATY . "Determination Of Local Protein Structure By Spin Label Difference 2d Nmr: The Region Neighboring Asp61 Of Subunit C Of The F1fo" . . . . . 100.00 79 98.73 98.73 1.59e-43 . . . . 10021 1 6 no PDB 1C0V . "Subunit C Of The F1fo Atp Synthase Of Escherichia Coli; Nmr, 10 Structures" . . . . . 100.00 79 100.00 100.00 6.73e-44 . . . . 10021 1 7 no PDB 1C17 . "A1c12 Subcomplex Of F1fo Atp Synthase" . . . . . 100.00 79 100.00 100.00 6.73e-44 . . . . 10021 1 8 no PDB 1C99 . "Asp61 Deprotonated Form Of Subunit C Of The F1fo Atp Synthase Of Escherichia Coli" . . . . . 100.00 79 100.00 100.00 6.73e-44 . . . . 10021 1 9 no PDB 1IJP . "Solution Structure Of Ala20proPRO64ALA SUBSTITUTED SUBUNIT C Of Escherichia Coli Atp Synthase" . . . . . 100.00 79 97.47 97.47 8.41e-42 . . . . 10021 1 10 no PDB 1L6T . "Structure Of Ala24ASP61 TO ASP24ASN61 SUBSTITUTED SUBUNIT C Of Escherichia Coli Atp Synthase" . . . . . 98.73 79 97.44 98.72 9.90e-42 . . . . 10021 1 11 no PDB 1QO1 . "Molecular Architecture Of The Rotary Motor In Atp Synthase From Yeast Mitochondria" . . . . . 100.00 79 100.00 100.00 6.73e-44 . . . . 10021 1 12 no PDB 4UTQ . "A Structural Model Of The Active Ribosome-bound Membrane Protein Insertase Yidc" . . . . . 100.00 79 100.00 100.00 6.73e-44 . . . . 10021 1 13 no DBJ BAB38102 . "membrane-bound ATP synthase subunit c AtpE [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 79 100.00 100.00 6.73e-44 . . . . 10021 1 14 no DBJ BAE75684 . "ATP synthase subunit C [Sodalis glossinidius str. 'morsitans']" . . . . . 100.00 79 100.00 100.00 6.73e-44 . . . . 10021 1 15 no DBJ BAE77551 . "F0 sector of membrane-bound ATP synthase, subunit c [Escherichia coli str. K12 substr. W3110]" . . . . . 100.00 79 100.00 100.00 6.73e-44 . . . . 10021 1 16 no DBJ BAG79551 . "ATP synthase subunit C [Escherichia coli SE11]" . . . . . 100.00 79 100.00 100.00 6.73e-44 . . . . 10021 1 17 no DBJ BAH65925 . "ATP synthase subunit C [Klebsiella pneumoniae subsp. pneumoniae NTUH-K2044]" . . . . . 100.00 79 100.00 100.00 6.73e-44 . . . . 10021 1 18 no EMBL CAA23515 . "unnamed protein product [Escherichia coli]" . . . . . 100.00 79 100.00 100.00 6.73e-44 . . . . 10021 1 19 no EMBL CAA23522 . "atpE [Escherichia coli]" . . . . . 100.00 79 100.00 100.00 6.73e-44 . . . . 10021 1 20 no EMBL CAA23591 . "unnamed protein product [Escherichia coli]" . . . . . 100.00 79 98.73 98.73 7.13e-43 . . . . 10021 1 21 no EMBL CAA24752 . "unnamed protein product [Escherichia coli]" . . . . . 100.00 79 100.00 100.00 6.73e-44 . . . . 10021 1 22 no EMBL CAA25777 . "unnamed protein product [Escherichia coli]" . . . . . 100.00 79 100.00 100.00 6.73e-44 . . . . 10021 1 23 no GB AAA23668 . "dicyclohexylcarbodiimide-binding protein [Escherichia coli]" . . . . . 100.00 79 100.00 100.00 6.73e-44 . . . . 10021 1 24 no GB AAA24732 . "ATP synthase c subunit [Escherichia coli]" . . . . . 100.00 79 100.00 100.00 6.73e-44 . . . . 10021 1 25 no GB AAA62089 . "ATP synthase F0 subunit c; DCCD-binding protein [Escherichia coli]" . . . . . 100.00 79 100.00 100.00 6.73e-44 . . . . 10021 1 26 no GB AAA83870 . "integral membrane proton channel F0 subunit C [Escherichia coli]" . . . . . 100.00 79 100.00 100.00 6.73e-44 . . . . 10021 1 27 no GB AAC76760 . "F0 sector of membrane-bound ATP synthase, subunit c [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 79 100.00 100.00 6.73e-44 . . . . 10021 1 28 no PIR AI0953 . "ATP synthase chain C [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" . . . . . 100.00 79 100.00 100.00 6.73e-44 . . . . 10021 1 29 no REF NP_312706 . "ATP synthase F0F1 subunit C [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 79 100.00 100.00 6.73e-44 . . . . 10021 1 30 no REF NP_418193 . "F0 sector of membrane-bound ATP synthase, subunit c [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 79 100.00 100.00 6.73e-44 . . . . 10021 1 31 no REF NP_458073 . "ATP synthase subunit C [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 100.00 79 100.00 100.00 6.73e-44 . . . . 10021 1 32 no REF NP_462769 . "F0F1 ATP synthase subunit C [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 100.00 79 100.00 100.00 6.73e-44 . . . . 10021 1 33 no REF NP_709550 . "ATP synthase F0F1 subunit C [Shigella flexneri 2a str. 301]" . . . . . 100.00 79 100.00 100.00 6.73e-44 . . . . 10021 1 34 no SP A1JTD2 . "RecName: Full=ATP synthase subunit c; AltName: Full=ATP synthase F(0) sector subunit c; AltName: Full=F-type ATPase subunit c; " . . . . . 100.00 79 98.73 100.00 1.03e-43 . . . . 10021 1 35 no SP A4TSI8 . "RecName: Full=ATP synthase subunit c; AltName: Full=ATP synthase F(0) sector subunit c; AltName: Full=F-type ATPase subunit c; " . . . . . 100.00 79 100.00 100.00 6.73e-44 . . . . 10021 1 36 no SP A4WGF0 . "RecName: Full=ATP synthase subunit c; AltName: Full=ATP synthase F(0) sector subunit c; AltName: Full=F-type ATPase subunit c; " . . . . . 100.00 79 100.00 100.00 6.73e-44 . . . . 10021 1 37 no SP A6TG41 . "RecName: Full=ATP synthase subunit c; AltName: Full=ATP synthase F(0) sector subunit c; AltName: Full=F-type ATPase subunit c; " . . . . . 100.00 79 100.00 100.00 6.73e-44 . . . . 10021 1 38 no SP A7FPE5 . "RecName: Full=ATP synthase subunit c; AltName: Full=ATP synthase F(0) sector subunit c; AltName: Full=F-type ATPase subunit c; " . . . . . 100.00 79 100.00 100.00 6.73e-44 . . . . 10021 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'subunit c' . 10021 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 10021 1 2 . GLU . 10021 1 3 . ASN . 10021 1 4 . LEU . 10021 1 5 . ASN . 10021 1 6 . MET . 10021 1 7 . ASP . 10021 1 8 . LEU . 10021 1 9 . LEU . 10021 1 10 . TYR . 10021 1 11 . MET . 10021 1 12 . ALA . 10021 1 13 . ALA . 10021 1 14 . ALA . 10021 1 15 . VAL . 10021 1 16 . MET . 10021 1 17 . MET . 10021 1 18 . GLY . 10021 1 19 . LEU . 10021 1 20 . ALA . 10021 1 21 . ALA . 10021 1 22 . ILE . 10021 1 23 . GLY . 10021 1 24 . ALA . 10021 1 25 . ALA . 10021 1 26 . ILE . 10021 1 27 . GLY . 10021 1 28 . ILE . 10021 1 29 . GLY . 10021 1 30 . ILE . 10021 1 31 . LEU . 10021 1 32 . GLY . 10021 1 33 . GLY . 10021 1 34 . LYS . 10021 1 35 . PHE . 10021 1 36 . LEU . 10021 1 37 . GLU . 10021 1 38 . GLY . 10021 1 39 . ALA . 10021 1 40 . ALA . 10021 1 41 . ARG . 10021 1 42 . GLN . 10021 1 43 . PRO . 10021 1 44 . ASP . 10021 1 45 . LEU . 10021 1 46 . ILE . 10021 1 47 . PRO . 10021 1 48 . LEU . 10021 1 49 . LEU . 10021 1 50 . ARG . 10021 1 51 . THR . 10021 1 52 . GLN . 10021 1 53 . PHE . 10021 1 54 . PHE . 10021 1 55 . ILE . 10021 1 56 . VAL . 10021 1 57 . MET . 10021 1 58 . GLY . 10021 1 59 . LEU . 10021 1 60 . VAL . 10021 1 61 . ASP . 10021 1 62 . ALA . 10021 1 63 . ILE . 10021 1 64 . PRO . 10021 1 65 . MET . 10021 1 66 . ILE . 10021 1 67 . ALA . 10021 1 68 . VAL . 10021 1 69 . GLY . 10021 1 70 . LEU . 10021 1 71 . GLY . 10021 1 72 . LEU . 10021 1 73 . TYR . 10021 1 74 . VAL . 10021 1 75 . MET . 10021 1 76 . PHE . 10021 1 77 . ALA . 10021 1 78 . VAL . 10021 1 79 . ALA . 10021 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 10021 1 . GLU 2 2 10021 1 . ASN 3 3 10021 1 . LEU 4 4 10021 1 . ASN 5 5 10021 1 . MET 6 6 10021 1 . ASP 7 7 10021 1 . LEU 8 8 10021 1 . LEU 9 9 10021 1 . TYR 10 10 10021 1 . MET 11 11 10021 1 . ALA 12 12 10021 1 . ALA 13 13 10021 1 . ALA 14 14 10021 1 . VAL 15 15 10021 1 . MET 16 16 10021 1 . MET 17 17 10021 1 . GLY 18 18 10021 1 . LEU 19 19 10021 1 . ALA 20 20 10021 1 . ALA 21 21 10021 1 . ILE 22 22 10021 1 . GLY 23 23 10021 1 . ALA 24 24 10021 1 . ALA 25 25 10021 1 . ILE 26 26 10021 1 . GLY 27 27 10021 1 . ILE 28 28 10021 1 . GLY 29 29 10021 1 . ILE 30 30 10021 1 . LEU 31 31 10021 1 . GLY 32 32 10021 1 . GLY 33 33 10021 1 . LYS 34 34 10021 1 . PHE 35 35 10021 1 . LEU 36 36 10021 1 . GLU 37 37 10021 1 . GLY 38 38 10021 1 . ALA 39 39 10021 1 . ALA 40 40 10021 1 . ARG 41 41 10021 1 . GLN 42 42 10021 1 . PRO 43 43 10021 1 . ASP 44 44 10021 1 . LEU 45 45 10021 1 . ILE 46 46 10021 1 . PRO 47 47 10021 1 . LEU 48 48 10021 1 . LEU 49 49 10021 1 . ARG 50 50 10021 1 . THR 51 51 10021 1 . GLN 52 52 10021 1 . PHE 53 53 10021 1 . PHE 54 54 10021 1 . ILE 55 55 10021 1 . VAL 56 56 10021 1 . MET 57 57 10021 1 . GLY 58 58 10021 1 . LEU 59 59 10021 1 . VAL 60 60 10021 1 . ASP 61 61 10021 1 . ALA 62 62 10021 1 . ILE 63 63 10021 1 . PRO 64 64 10021 1 . MET 65 65 10021 1 . ILE 66 66 10021 1 . ALA 67 67 10021 1 . VAL 68 68 10021 1 . GLY 69 69 10021 1 . LEU 70 70 10021 1 . GLY 71 71 10021 1 . LEU 72 72 10021 1 . TYR 73 73 10021 1 . VAL 74 74 10021 1 . MET 75 75 10021 1 . PHE 76 76 10021 1 . ALA 77 77 10021 1 . VAL 78 78 10021 1 . ALA 79 79 10021 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 10021 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $subunit_c . 562 . no . 'E. coli' . . Eubacteria . Escherichia coli . . . . . . . . . . . . no . . . . . . . . 10021 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 10021 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $subunit_c . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10021 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10021 _Sample.ID 1 _Sample.Type solid _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'H+-ATP synthase subunit c' '[U-13C; U-15N]' . . 1 $subunit_c . . 9 . . mg 0.2 . . . 10021 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 10021 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'Precipitated from chloroform-Methanol (2:1) solvent' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID temperature 243 10 K 10021 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10021 _Software.ID 1 _Software.Name FELIX2000 _Software.Version . _Software.Details 'Accelrys Inc., USA' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10021 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 10021 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Infinity-plus _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 10021 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Infinity-plus _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 10021 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Infinity-plus _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 10021 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '13C-13C RFDR' no . . . . . . . . . . 1 $sample_1 solid . . 1 $condition_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 10021 1 2 '13C-13C SPC5' no . . . . . . . . . . 1 $sample_1 solid . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10021 1 3 15N-13CaCb no . . . . . . . . . . 1 $sample_1 solid . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10021 1 4 15N-13C'CaCb no . . . . . . . . . . 1 $sample_1 solid . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10021 1 5 15N-13C'-13CaCb no . . . . . . . . . . 1 $sample_1 solid . . 1 $condition_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 10021 1 6 13CaCb-13C'CaCb no . . . . . . . . . . 1 $sample_1 solid . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10021 1 stop_ save_ save_13C-13C_RFDR _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 13C-13C_RFDR _NMR_spec_expt.Entry_ID 10021 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '13C-13C RFDR' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume 0.01 _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type '3.2 mm MAS rotor' _NMR_spec_expt.Sample_spinning_rate 13.0 _NMR_spec_expt.Sample_angle 54.7 _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_13C-13C_SPC5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 13C-13C_SPC5 _NMR_spec_expt.Entry_ID 10021 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '13C-13C SPC5' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume 0.01 _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type '3.2 mm MAS rotor' _NMR_spec_expt.Sample_spinning_rate 12.5 _NMR_spec_expt.Sample_angle 54.7 _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_15N-13CaCb _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 15N-13CaCb _NMR_spec_expt.Entry_ID 10021 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name 15N-13CaCb _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume 0.01 _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type '3.2 mm MAS rotor' _NMR_spec_expt.Sample_spinning_rate 12.5 _NMR_spec_expt.Sample_angle 54.7 _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_15N-13C'CaCb _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 15N-13C'CaCb _NMR_spec_expt.Entry_ID 10021 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name 15N-13C'CaCb _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume 0.01 _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type '3.2 mm MAS rotor' _NMR_spec_expt.Sample_spinning_rate 12.5 _NMR_spec_expt.Sample_angle 54.7 _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_15N-13C'-13CaCb _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 15N-13C'-13CaCb _NMR_spec_expt.Entry_ID 10021 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name 15N-13C'-13CaCb _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume 0.01 _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type '3.2 mm MAS rotor' _NMR_spec_expt.Sample_spinning_rate 15.0 _NMR_spec_expt.Sample_angle 54.7 _NMR_spec_expt.NMR_spectrometer_ID 3 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_3 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_13CaCb-13C'CaCb _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 13CaCb-13C'CaCb _NMR_spec_expt.Entry_ID 10021 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name 13CaCb-13C'CaCb _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume 0.01 _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type '3.2 mm MAS rotor' _NMR_spec_expt.Sample_spinning_rate 12.5 _NMR_spec_expt.Sample_angle 54.7 _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 10021 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; The 13C chemical shift was referenced to the methylene signal of adamantane resonating at 31.5 ppm which gives chemical shift relative to DSS. The 15N chemical shift reference was computed from the ratios of resonance frequencies in the IUPAC recommendations. ; loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 10021 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10021 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 10021 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err 0.4 _Assigned_chem_shift_list.Chem_shift_15N_err 0.9 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '13C-13C RFDR' 1 $sample_1 isotropic 10021 1 2 '13C-13C SPC5' 1 $sample_1 isotropic 10021 1 3 15N-13CaCb 1 $sample_1 isotropic 10021 1 4 15N-13C'CaCb 1 $sample_1 isotropic 10021 1 5 15N-13C'-13CaCb 1 $sample_1 isotropic 10021 1 6 13CaCb-13C'CaCb 1 $sample_1 isotropic 10021 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 4 4 LEU C C 13 178.5 0.4 . 1 . . . . 4 LEU C . 10021 1 2 . 1 1 4 4 LEU CA C 13 58.0 0.4 . 1 . . . . 4 LEU CA . 10021 1 3 . 1 1 4 4 LEU CB C 13 42.1 0.4 . 1 . . . . 4 LEU CB . 10021 1 4 . 1 1 4 4 LEU CG C 13 27.4 0.4 . 1 . . . . 4 LEU CG . 10021 1 5 . 1 1 4 4 LEU CD1 C 13 23.9 0.4 . 1 . . . . 4 LEU CD1 . 10021 1 6 . 1 1 4 4 LEU N N 15 120 0.9 . 1 . . . . 4 LEU N . 10021 1 7 . 1 1 8 8 LEU C C 13 178.5 0.4 . 1 . . . . 8 LEU C . 10021 1 8 . 1 1 8 8 LEU CA C 13 58.0 0.4 . 1 . . . . 8 LEU CA . 10021 1 9 . 1 1 8 8 LEU CB C 13 42.1 0.4 . 1 . . . . 8 LEU CB . 10021 1 10 . 1 1 8 8 LEU CG C 13 27.4 0.4 . 1 . . . . 8 LEU CG . 10021 1 11 . 1 1 8 8 LEU CD1 C 13 23.9 0.4 . 1 . . . . 8 LEU CD1 . 10021 1 12 . 1 1 8 8 LEU N N 15 120 0.9 . 1 . . . . 8 LEU N . 10021 1 13 . 1 1 9 9 LEU C C 13 178.5 0.4 . 1 . . . . 9 LEU C . 10021 1 14 . 1 1 9 9 LEU CA C 13 58.0 0.4 . 1 . . . . 9 LEU CA . 10021 1 15 . 1 1 9 9 LEU CB C 13 42.1 0.4 . 1 . . . . 9 LEU CB . 10021 1 16 . 1 1 9 9 LEU CG C 13 27.4 0.4 . 1 . . . . 9 LEU CG . 10021 1 17 . 1 1 9 9 LEU CD1 C 13 23.9 0.4 . 1 . . . . 9 LEU CD1 . 10021 1 18 . 1 1 9 9 LEU N N 15 120 0.9 . 1 . . . . 9 LEU N . 10021 1 19 . 1 1 10 10 TYR CB C 13 37.8 0.4 . 1 . . . . 10 TYR CB . 10021 1 20 . 1 1 10 10 TYR CG C 13 130.7 0.4 . 1 . . . . 10 TYR CG . 10021 1 21 . 1 1 10 10 TYR CD1 C 13 132.6 0.4 . 1 . . . . 10 TYR CD1 . 10021 1 22 . 1 1 10 10 TYR CD2 C 13 132.6 0.4 . 1 . . . . 10 TYR CD2 . 10021 1 23 . 1 1 10 10 TYR CE1 C 13 117.9 0.4 . 1 . . . . 10 TYR CE1 . 10021 1 24 . 1 1 10 10 TYR CE2 C 13 117.9 0.4 . 1 . . . . 10 TYR CE2 . 10021 1 25 . 1 1 11 11 MET C C 13 178.5 0.4 . 1 . . . . 11 MET C . 10021 1 26 . 1 1 11 11 MET CA C 13 57.8 0.4 . 1 . . . . 11 MET CA . 10021 1 27 . 1 1 11 11 MET CB C 13 33.6 0.4 . 1 . . . . 11 MET CB . 10021 1 28 . 1 1 12 12 ALA C C 13 179.3 0.4 . 1 . . . . 12 ALA C . 10021 1 29 . 1 1 12 12 ALA CA C 13 55.0 0.4 . 1 . . . . 12 ALA CA . 10021 1 30 . 1 1 12 12 ALA CB C 13 18.1 0.4 . 1 . . . . 12 ALA CB . 10021 1 31 . 1 1 12 12 ALA N N 15 120 0.9 . 1 . . . . 12 ALA N . 10021 1 32 . 1 1 13 13 ALA C C 13 179.3 0.4 . 1 . . . . 13 ALA C . 10021 1 33 . 1 1 13 13 ALA CA C 13 55.0 0.4 . 1 . . . . 13 ALA CA . 10021 1 34 . 1 1 13 13 ALA CB C 13 18.1 0.4 . 1 . . . . 13 ALA CB . 10021 1 35 . 1 1 13 13 ALA N N 15 120 0.9 . 1 . . . . 13 ALA N . 10021 1 36 . 1 1 14 14 ALA C C 13 179.3 0.4 . 1 . . . . 14 ALA C . 10021 1 37 . 1 1 14 14 ALA CA C 13 55.4 0.4 . 1 . . . . 14 ALA CA . 10021 1 38 . 1 1 14 14 ALA CB C 13 18.1 0.4 . 1 . . . . 14 ALA CB . 10021 1 39 . 1 1 14 14 ALA N N 15 120 0.9 . 1 . . . . 14 ALA N . 10021 1 40 . 1 1 15 15 VAL C C 13 178.1 0.4 . 1 . . . . 15 VAL C . 10021 1 41 . 1 1 15 15 VAL CA C 13 65.5 0.4 . 1 . . . . 15 VAL CA . 10021 1 42 . 1 1 15 15 VAL CB C 13 31.6 0.4 . 1 . . . . 15 VAL CB . 10021 1 43 . 1 1 15 15 VAL CG1 C 13 21.9 0.4 . 1 . . . . 15 VAL CG1 . 10021 1 44 . 1 1 15 15 VAL N N 15 117 0.9 . 1 . . . . 15 VAL N . 10021 1 45 . 1 1 16 16 MET C C 13 178.5 0.4 . 1 . . . . 16 MET C . 10021 1 46 . 1 1 16 16 MET CA C 13 60.1 0.4 . 1 . . . . 16 MET CA . 10021 1 47 . 1 1 16 16 MET CB C 13 33.6 0.4 . 1 . . . . 16 MET CB . 10021 1 48 . 1 1 17 17 MET CA C 13 53.5 0.4 . 1 . . . . 17 MET CA . 10021 1 49 . 1 1 18 18 GLY C C 13 171.5 0.4 . 1 . . . . 18 GLY C . 10021 1 50 . 1 1 18 18 GLY CA C 13 44.2 0.4 . 1 . . . . 18 GLY CA . 10021 1 51 . 1 1 18 18 GLY N N 15 112 0.9 . 1 . . . . 18 GLY N . 10021 1 52 . 1 1 19 19 LEU CA C 13 53.5 0.4 . 1 . . . . 19 LEU CA . 10021 1 53 . 1 1 19 19 LEU CB C 13 46.4 0.4 . 1 . . . . 19 LEU CB . 10021 1 54 . 1 1 19 19 LEU CG C 13 28.1 0.4 . 1 . . . . 19 LEU CG . 10021 1 55 . 1 1 20 20 ALA C C 13 179.3 0.4 . 1 . . . . 20 ALA C . 10021 1 56 . 1 1 20 20 ALA CA C 13 55.0 0.4 . 1 . . . . 20 ALA CA . 10021 1 57 . 1 1 20 20 ALA CB C 13 18.1 0.4 . 1 . . . . 20 ALA CB . 10021 1 58 . 1 1 20 20 ALA N N 15 120 0.9 . 1 . . . . 20 ALA N . 10021 1 59 . 1 1 21 21 ALA C C 13 179.3 0.4 . 1 . . . . 21 ALA C . 10021 1 60 . 1 1 21 21 ALA CA C 13 55.3 0.4 . 1 . . . . 21 ALA CA . 10021 1 61 . 1 1 21 21 ALA CB C 13 18.1 0.4 . 1 . . . . 21 ALA CB . 10021 1 62 . 1 1 21 21 ALA N N 15 120 0.9 . 1 . . . . 21 ALA N . 10021 1 63 . 1 1 22 22 ILE C C 13 178.1 0.4 . 1 . . . . 22 ILE C . 10021 1 64 . 1 1 22 22 ILE CA C 13 65.5 0.4 . 1 . . . . 22 ILE CA . 10021 1 65 . 1 1 22 22 ILE CB C 13 38.2 0.4 . 1 . . . . 22 ILE CB . 10021 1 66 . 1 1 22 22 ILE CG1 C 13 29.7 0.4 . 1 . . . . 22 ILE CG1 . 10021 1 67 . 1 1 22 22 ILE CG2 C 13 17.6 0.4 . 1 . . . . 22 ILE CG2 . 10021 1 68 . 1 1 22 22 ILE CD1 C 13 14.1 0.4 . 1 . . . . 22 ILE CD1 . 10021 1 69 . 1 1 22 22 ILE N N 15 117 0.9 . 1 . . . . 22 ILE N . 10021 1 70 . 1 1 23 23 GLY C C 13 175.4 0.4 . 1 . . . . 23 GLY C . 10021 1 71 . 1 1 23 23 GLY CA C 13 47.7 0.4 . 1 . . . . 23 GLY CA . 10021 1 72 . 1 1 23 23 GLY N N 15 107 0.9 . 1 . . . . 23 GLY N . 10021 1 73 . 1 1 24 24 ALA C C 13 179.3 0.4 . 1 . . . . 24 ALA C . 10021 1 74 . 1 1 24 24 ALA CA C 13 55.0 0.4 . 1 . . . . 24 ALA CA . 10021 1 75 . 1 1 24 24 ALA CB C 13 18.1 0.4 . 1 . . . . 24 ALA CB . 10021 1 76 . 1 1 24 24 ALA N N 15 120 0.9 . 1 . . . . 24 ALA N . 10021 1 77 . 1 1 25 25 ALA C C 13 179.3 0.4 . 1 . . . . 25 ALA C . 10021 1 78 . 1 1 25 25 ALA CA C 13 55.3 0.4 . 1 . . . . 25 ALA CA . 10021 1 79 . 1 1 25 25 ALA CB C 13 18.1 0.4 . 1 . . . . 25 ALA CB . 10021 1 80 . 1 1 25 25 ALA N N 15 120 0.9 . 1 . . . . 25 ALA N . 10021 1 81 . 1 1 26 26 ILE C C 13 178.1 0.4 . 1 . . . . 26 ILE C . 10021 1 82 . 1 1 26 26 ILE CA C 13 65.5 0.4 . 1 . . . . 26 ILE CA . 10021 1 83 . 1 1 26 26 ILE CB C 13 38.2 0.4 . 1 . . . . 26 ILE CB . 10021 1 84 . 1 1 26 26 ILE CG1 C 13 29.7 0.4 . 1 . . . . 26 ILE CG1 . 10021 1 85 . 1 1 26 26 ILE CG2 C 13 17.6 0.4 . 1 . . . . 26 ILE CG2 . 10021 1 86 . 1 1 26 26 ILE CD1 C 13 14.1 0.4 . 1 . . . . 26 ILE CD1 . 10021 1 87 . 1 1 26 26 ILE N N 15 117 0.9 . 1 . . . . 26 ILE N . 10021 1 88 . 1 1 27 27 GLY C C 13 175.4 0.4 . 1 . . . . 27 GLY C . 10021 1 89 . 1 1 27 27 GLY CA C 13 48.0 0.4 . 1 . . . . 27 GLY CA . 10021 1 90 . 1 1 27 27 GLY N N 15 107 0.9 . 1 . . . . 27 GLY N . 10021 1 91 . 1 1 28 28 ILE C C 13 178.1 0.4 . 1 . . . . 28 ILE C . 10021 1 92 . 1 1 28 28 ILE CA C 13 65.5 0.4 . 1 . . . . 28 ILE CA . 10021 1 93 . 1 1 28 28 ILE CB C 13 38.2 0.4 . 1 . . . . 28 ILE CB . 10021 1 94 . 1 1 28 28 ILE CG1 C 13 29.7 0.4 . 1 . . . . 28 ILE CG1 . 10021 1 95 . 1 1 28 28 ILE CG2 C 13 17.6 0.4 . 1 . . . . 28 ILE CG2 . 10021 1 96 . 1 1 28 28 ILE CD1 C 13 14.1 0.4 . 1 . . . . 28 ILE CD1 . 10021 1 97 . 1 1 28 28 ILE N N 15 117 0.9 . 1 . . . . 28 ILE N . 10021 1 98 . 1 1 29 29 GLY C C 13 175.4 0.4 . 1 . . . . 29 GLY C . 10021 1 99 . 1 1 29 29 GLY CA C 13 48.0 0.4 . 1 . . . . 29 GLY CA . 10021 1 100 . 1 1 29 29 GLY N N 15 107 0.9 . 1 . . . . 29 GLY N . 10021 1 101 . 1 1 30 30 ILE C C 13 178.1 0.4 . 1 . . . . 30 ILE C . 10021 1 102 . 1 1 30 30 ILE CA C 13 65.5 0.4 . 1 . . . . 30 ILE CA . 10021 1 103 . 1 1 30 30 ILE CB C 13 38.2 0.4 . 1 . . . . 30 ILE CB . 10021 1 104 . 1 1 30 30 ILE CG1 C 13 29.7 0.4 . 1 . . . . 30 ILE CG1 . 10021 1 105 . 1 1 30 30 ILE CG2 C 13 17.6 0.4 . 1 . . . . 30 ILE CG2 . 10021 1 106 . 1 1 30 30 ILE CD1 C 13 14.1 0.4 . 1 . . . . 30 ILE CD1 . 10021 1 107 . 1 1 30 30 ILE N N 15 117 0.9 . 1 . . . . 30 ILE N . 10021 1 108 . 1 1 31 31 LEU C C 13 178.5 0.4 . 1 . . . . 31 LEU C . 10021 1 109 . 1 1 31 31 LEU CA C 13 57.8 0.4 . 1 . . . . 31 LEU CA . 10021 1 110 . 1 1 31 31 LEU CB C 13 42.1 0.4 . 1 . . . . 31 LEU CB . 10021 1 111 . 1 1 31 31 LEU CG C 13 27.4 0.4 . 1 . . . . 31 LEU CG . 10021 1 112 . 1 1 31 31 LEU CD1 C 13 23.9 0.4 . 1 . . . . 31 LEU CD1 . 10021 1 113 . 1 1 31 31 LEU N N 15 120 0.9 . 1 . . . . 31 LEU N . 10021 1 114 . 1 1 32 32 GLY C C 13 175.4 0.4 . 1 . . . . 32 GLY C . 10021 1 115 . 1 1 32 32 GLY CA C 13 47.7 0.4 . 1 . . . . 32 GLY CA . 10021 1 116 . 1 1 32 32 GLY N N 15 107 0.9 . 1 . . . . 32 GLY N . 10021 1 117 . 1 1 33 33 GLY C C 13 175.4 0.4 . 1 . . . . 33 GLY C . 10021 1 118 . 1 1 33 33 GLY CA C 13 47.3 0.4 . 1 . . . . 33 GLY CA . 10021 1 119 . 1 1 33 33 GLY N N 15 107 0.9 . 1 . . . . 33 GLY N . 10021 1 120 . 1 1 34 34 LYS CA C 13 57.8 0.4 . 1 . . . . 34 LYS CA . 10021 1 121 . 1 1 34 34 LYS CE C 13 42.2 0.4 . 1 . . . . 34 LYS CE . 10021 1 122 . 1 1 34 34 LYS NZ N 15 32.8 0.9 . 1 . . . . 34 LYS NZ . 10021 1 123 . 1 1 35 35 PHE CB C 13 39.3 0.4 . 1 . . . . 35 PHE CB . 10021 1 124 . 1 1 35 35 PHE CG C 13 139.9 0.4 . 1 . . . . 35 PHE CG . 10021 1 125 . 1 1 35 35 PHE CD1 C 13 131.5 0.4 . 1 . . . . 35 PHE CD1 . 10021 1 126 . 1 1 35 35 PHE CD2 C 13 131.5 0.4 . 1 . . . . 35 PHE CD2 . 10021 1 127 . 1 1 36 36 LEU C C 13 178.5 0.4 . 1 . . . . 36 LEU C . 10021 1 128 . 1 1 36 36 LEU CA C 13 58.0 0.4 . 1 . . . . 36 LEU CA . 10021 1 129 . 1 1 36 36 LEU CB C 13 42.1 0.4 . 1 . . . . 36 LEU CB . 10021 1 130 . 1 1 36 36 LEU CG C 13 27.4 0.4 . 1 . . . . 36 LEU CG . 10021 1 131 . 1 1 36 36 LEU CD1 C 13 23.9 0.4 . 1 . . . . 36 LEU CD1 . 10021 1 132 . 1 1 36 36 LEU N N 15 120 0.9 . 1 . . . . 36 LEU N . 10021 1 133 . 1 1 37 37 GLU C C 13 178.1 0.4 . 1 . . . . 37 GLU C . 10021 1 134 . 1 1 37 37 GLU CA C 13 59.3 0.4 . 1 . . . . 37 GLU CA . 10021 1 135 . 1 1 37 37 GLU CB C 13 26.8 0.4 . 1 . . . . 37 GLU CB . 10021 1 136 . 1 1 38 38 GLY C C 13 175.4 0.4 . 1 . . . . 38 GLY C . 10021 1 137 . 1 1 38 38 GLY CA C 13 47.7 0.4 . 1 . . . . 38 GLY CA . 10021 1 138 . 1 1 38 38 GLY N N 15 107 0.9 . 1 . . . . 38 GLY N . 10021 1 139 . 1 1 39 39 ALA C C 13 179.3 0.4 . 1 . . . . 39 ALA C . 10021 1 140 . 1 1 39 39 ALA CA C 13 55.0 0.4 . 1 . . . . 39 ALA CA . 10021 1 141 . 1 1 39 39 ALA CB C 13 18.1 0.4 . 1 . . . . 39 ALA CB . 10021 1 142 . 1 1 39 39 ALA N N 15 120 0.9 . 1 . . . . 39 ALA N . 10021 1 143 . 1 1 40 40 ALA C C 13 179.3 0.4 . 1 . . . . 40 ALA C . 10021 1 144 . 1 1 40 40 ALA CA C 13 55.0 0.4 . 1 . . . . 40 ALA CA . 10021 1 145 . 1 1 40 40 ALA CB C 13 18.1 0.4 . 1 . . . . 40 ALA CB . 10021 1 146 . 1 1 40 40 ALA N N 15 120 0.9 . 1 . . . . 40 ALA N . 10021 1 147 . 1 1 41 41 ARG CG C 13 27.1 0.4 . 1 . . . . 41 ARG CG . 10021 1 148 . 1 1 41 41 ARG CD C 13 43.8 0.4 . 1 . . . . 41 ARG CD . 10021 1 149 . 1 1 41 41 ARG CZ C 13 159.6 0.4 . 1 . . . . 41 ARG CZ . 10021 1 150 . 1 1 41 41 ARG NE N 15 83.7 0.9 . 1 . . . . 41 ARG NE . 10021 1 151 . 1 1 41 41 ARG NH1 N 15 71.1 0.9 . 2 . . . . 41 ARG NH1 . 10021 1 152 . 1 1 41 41 ARG NH2 N 15 74.2 0.9 . 2 . . . . 41 ARG NH2 . 10021 1 153 . 1 1 42 42 GLN CA C 13 55.0 0.4 . 1 . . . . 42 GLN CA . 10021 1 154 . 1 1 43 43 PRO CA C 13 62.5 0.4 . 1 . . . . 43 PRO CA . 10021 1 155 . 1 1 43 43 PRO CD C 13 50.1 0.4 . 1 . . . . 43 PRO CD . 10021 1 156 . 1 1 43 43 PRO N N 15 137 0.9 . 1 . . . . 43 PRO N . 10021 1 157 . 1 1 45 45 LEU CA C 13 54.2 0.4 . 1 . . . . 45 LEU CA . 10021 1 158 . 1 1 45 45 LEU CB C 13 46.4 0.4 . 1 . . . . 45 LEU CB . 10021 1 159 . 1 1 45 45 LEU CG C 13 28.1 0.4 . 1 . . . . 45 LEU CG . 10021 1 160 . 1 1 46 46 ILE C C 13 178.1 0.4 . 1 . . . . 46 ILE C . 10021 1 161 . 1 1 46 46 ILE CA C 13 65.5 0.4 . 1 . . . . 46 ILE CA . 10021 1 162 . 1 1 46 46 ILE CB C 13 38.2 0.4 . 1 . . . . 46 ILE CB . 10021 1 163 . 1 1 46 46 ILE CG1 C 13 29.7 0.4 . 1 . . . . 46 ILE CG1 . 10021 1 164 . 1 1 46 46 ILE CG2 C 13 17.6 0.4 . 1 . . . . 46 ILE CG2 . 10021 1 165 . 1 1 46 46 ILE CD1 C 13 14.1 0.4 . 1 . . . . 46 ILE CD1 . 10021 1 166 . 1 1 47 47 PRO CA C 13 65.2 0.4 . 1 . . . . 47 PRO CA . 10021 1 167 . 1 1 47 47 PRO CD C 13 49.3 0.4 . 1 . . . . 47 PRO CD . 10021 1 168 . 1 1 47 47 PRO N N 15 133 0.9 . 1 . . . . 47 PRO N . 10021 1 169 . 1 1 48 48 LEU C C 13 178.5 0.4 . 1 . . . . 48 LEU C . 10021 1 170 . 1 1 48 48 LEU CA C 13 58.0 0.4 . 1 . . . . 48 LEU CA . 10021 1 171 . 1 1 48 48 LEU CB C 13 42.1 0.4 . 1 . . . . 48 LEU CB . 10021 1 172 . 1 1 48 48 LEU CG C 13 27.4 0.4 . 1 . . . . 48 LEU CG . 10021 1 173 . 1 1 48 48 LEU CD1 C 13 23.9 0.4 . 1 . . . . 48 LEU CD1 . 10021 1 174 . 1 1 48 48 LEU N N 15 120 0.9 . 1 . . . . 48 LEU N . 10021 1 175 . 1 1 49 49 LEU C C 13 178.5 0.4 . 1 . . . . 49 LEU C . 10021 1 176 . 1 1 49 49 LEU CA C 13 58.0 0.4 . 1 . . . . 49 LEU CA . 10021 1 177 . 1 1 49 49 LEU CB C 13 42.1 0.4 . 1 . . . . 49 LEU CB . 10021 1 178 . 1 1 49 49 LEU CG C 13 27.4 0.4 . 1 . . . . 49 LEU CG . 10021 1 179 . 1 1 49 49 LEU CD1 C 13 23.9 0.4 . 1 . . . . 49 LEU CD1 . 10021 1 180 . 1 1 49 49 LEU N N 15 120 0.9 . 1 . . . . 49 LEU N . 10021 1 181 . 1 1 50 50 ARG CG C 13 27.1 0.4 . 1 . . . . 50 ARG CG . 10021 1 182 . 1 1 50 50 ARG CD C 13 43.8 0.4 . 1 . . . . 50 ARG CD . 10021 1 183 . 1 1 50 50 ARG CZ C 13 159.6 0.4 . 1 . . . . 50 ARG CZ . 10021 1 184 . 1 1 50 50 ARG NE N 15 83.7 0.9 . 1 . . . . 50 ARG NE . 10021 1 185 . 1 1 50 50 ARG NH1 N 15 71.1 0.9 . 2 . . . . 50 ARG NH1 . 10021 1 186 . 1 1 50 50 ARG NH2 N 15 74.2 0.9 . 2 . . . . 50 ARG NH2 . 10021 1 187 . 1 1 51 51 THR CB C 13 71.3 0.4 . 1 . . . . 51 THR CB . 10021 1 188 . 1 1 51 51 THR CG2 C 13 22.3 0.4 . 1 . . . . 51 THR CG2 . 10021 1 189 . 1 1 53 53 PHE CB C 13 39.3 0.4 . 1 . . . . 53 PHE CB . 10021 1 190 . 1 1 53 53 PHE CG C 13 139.9 0.4 . 1 . . . . 53 PHE CG . 10021 1 191 . 1 1 53 53 PHE CD1 C 13 131.5 0.4 . 1 . . . . 53 PHE CD1 . 10021 1 192 . 1 1 53 53 PHE CD2 C 13 131.5 0.4 . 1 . . . . 53 PHE CD2 . 10021 1 193 . 1 1 54 54 PHE CB C 13 39.3 0.4 . 1 . . . . 54 PHE CB . 10021 1 194 . 1 1 54 54 PHE CG C 13 139.9 0.4 . 1 . . . . 54 PHE CG . 10021 1 195 . 1 1 54 54 PHE CD1 C 13 131.5 0.4 . 1 . . . . 54 PHE CD1 . 10021 1 196 . 1 1 54 54 PHE CD2 C 13 131.5 0.4 . 1 . . . . 54 PHE CD2 . 10021 1 197 . 1 1 55 55 ILE C C 13 178.1 0.4 . 1 . . . . 55 ILE C . 10021 1 198 . 1 1 55 55 ILE CA C 13 65.5 0.4 . 1 . . . . 55 ILE CA . 10021 1 199 . 1 1 55 55 ILE CB C 13 38.2 0.4 . 1 . . . . 55 ILE CB . 10021 1 200 . 1 1 55 55 ILE CG1 C 13 29.7 0.4 . 1 . . . . 55 ILE CG1 . 10021 1 201 . 1 1 55 55 ILE CG2 C 13 17.6 0.4 . 1 . . . . 55 ILE CG2 . 10021 1 202 . 1 1 55 55 ILE CD1 C 13 14.1 0.4 . 1 . . . . 55 ILE CD1 . 10021 1 203 . 1 1 55 55 ILE N N 15 117 0.9 . 1 . . . . 55 ILE N . 10021 1 204 . 1 1 56 56 VAL C C 13 178.1 0.4 . 1 . . . . 56 VAL C . 10021 1 205 . 1 1 56 56 VAL CA C 13 66.6 0.4 . 1 . . . . 56 VAL CA . 10021 1 206 . 1 1 56 56 VAL CB C 13 31.6 0.4 . 1 . . . . 56 VAL CB . 10021 1 207 . 1 1 56 56 VAL CG1 C 13 21.9 0.4 . 1 . . . . 56 VAL CG1 . 10021 1 208 . 1 1 56 56 VAL N N 15 117 0.9 . 1 . . . . 56 VAL N . 10021 1 209 . 1 1 57 57 MET C C 13 178.5 0.4 . 1 . . . . 57 MET C . 10021 1 210 . 1 1 57 57 MET CA C 13 60.1 0.4 . 1 . . . . 57 MET CA . 10021 1 211 . 1 1 57 57 MET CB C 13 33.6 0.4 . 1 . . . . 57 MET CB . 10021 1 212 . 1 1 58 58 GLY C C 13 175.4 0.4 . 1 . . . . 58 GLY C . 10021 1 213 . 1 1 58 58 GLY CA C 13 47.7 0.4 . 1 . . . . 58 GLY CA . 10021 1 214 . 1 1 58 58 GLY N N 15 107 0.9 . 1 . . . . 58 GLY N . 10021 1 215 . 1 1 59 59 LEU C C 13 178.5 0.4 . 1 . . . . 59 LEU C . 10021 1 216 . 1 1 59 59 LEU CA C 13 57.8 0.4 . 1 . . . . 59 LEU CA . 10021 1 217 . 1 1 59 59 LEU CB C 13 42.1 0.4 . 1 . . . . 59 LEU CB . 10021 1 218 . 1 1 59 59 LEU CG C 13 27.4 0.4 . 1 . . . . 59 LEU CG . 10021 1 219 . 1 1 59 59 LEU CD1 C 13 23.9 0.4 . 1 . . . . 59 LEU CD1 . 10021 1 220 . 1 1 59 59 LEU N N 15 120 0.9 . 1 . . . . 59 LEU N . 10021 1 221 . 1 1 60 60 VAL C C 13 178.1 0.4 . 1 . . . . 60 VAL C . 10021 1 222 . 1 1 60 60 VAL CA C 13 66.6 0.4 . 1 . . . . 60 VAL CA . 10021 1 223 . 1 1 60 60 VAL CB C 13 31.6 0.4 . 1 . . . . 60 VAL CB . 10021 1 224 . 1 1 60 60 VAL CG1 C 13 21.9 0.4 . 1 . . . . 60 VAL CG1 . 10021 1 225 . 1 1 60 60 VAL N N 15 117 0.9 . 1 . . . . 60 VAL N . 10021 1 226 . 1 1 61 61 ASP CA C 13 57.8 0.4 . 1 . . . . 61 ASP CA . 10021 1 227 . 1 1 62 62 ALA C C 13 179.3 0.4 . 1 . . . . 62 ALA C . 10021 1 228 . 1 1 62 62 ALA CA C 13 55.4 0.4 . 1 . . . . 62 ALA CA . 10021 1 229 . 1 1 62 62 ALA CB C 13 18.1 0.4 . 1 . . . . 62 ALA CB . 10021 1 230 . 1 1 62 62 ALA N N 15 120 0.9 . 1 . . . . 62 ALA N . 10021 1 231 . 1 1 63 63 ILE C C 13 178.5 0.4 . 1 . . . . 63 ILE C . 10021 1 232 . 1 1 63 63 ILE CA C 13 65.9 0.4 . 1 . . . . 63 ILE CA . 10021 1 233 . 1 1 63 63 ILE CB C 13 38.2 0.4 . 1 . . . . 63 ILE CB . 10021 1 234 . 1 1 63 63 ILE CG1 C 13 29.7 0.4 . 1 . . . . 63 ILE CG1 . 10021 1 235 . 1 1 63 63 ILE CG2 C 13 17.6 0.4 . 1 . . . . 63 ILE CG2 . 10021 1 236 . 1 1 63 63 ILE CD1 C 13 14.1 0.4 . 1 . . . . 63 ILE CD1 . 10021 1 237 . 1 1 63 63 ILE N N 15 117 0.9 . 1 . . . . 63 ILE N . 10021 1 238 . 1 1 64 64 PRO CA C 13 65.2 0.4 . 1 . . . . 64 PRO CA . 10021 1 239 . 1 1 64 64 PRO CD C 13 49.3 0.4 . 1 . . . . 64 PRO CD . 10021 1 240 . 1 1 64 64 PRO N N 15 133 0.9 . 1 . . . . 64 PRO N . 10021 1 241 . 1 1 65 65 MET C C 13 178.5 0.4 . 1 . . . . 65 MET C . 10021 1 242 . 1 1 65 65 MET CA C 13 58.5 0.4 . 1 . . . . 65 MET CA . 10021 1 243 . 1 1 66 66 ILE C C 13 178.5 0.4 . 1 . . . . 66 ILE C . 10021 1 244 . 1 1 66 66 ILE CA C 13 64.7 0.4 . 1 . . . . 66 ILE CA . 10021 1 245 . 1 1 66 66 ILE CB C 13 38.3 0.4 . 1 . . . . 66 ILE CB . 10021 1 246 . 1 1 66 66 ILE CG1 C 13 29.7 0.4 . 1 . . . . 66 ILE CG1 . 10021 1 247 . 1 1 66 66 ILE CG2 C 13 17.6 0.4 . 1 . . . . 66 ILE CG2 . 10021 1 248 . 1 1 66 66 ILE CD1 C 13 14.1 0.4 . 1 . . . . 66 ILE CD1 . 10021 1 249 . 1 1 66 66 ILE N N 15 117 0.9 . 1 . . . . 66 ILE N . 10021 1 250 . 1 1 67 67 ALA C C 13 179.3 0.4 . 1 . . . . 67 ALA C . 10021 1 251 . 1 1 67 67 ALA CA C 13 55.4 0.4 . 1 . . . . 67 ALA CA . 10021 1 252 . 1 1 67 67 ALA CB C 13 18.1 0.4 . 1 . . . . 67 ALA CB . 10021 1 253 . 1 1 67 67 ALA N N 15 120 0.9 . 1 . . . . 67 ALA N . 10021 1 254 . 1 1 68 68 VAL C C 13 178.1 0.4 . 1 . . . . 68 VAL C . 10021 1 255 . 1 1 68 68 VAL CA C 13 65.5 0.4 . 1 . . . . 68 VAL CA . 10021 1 256 . 1 1 68 68 VAL CB C 13 31.6 0.4 . 1 . . . . 68 VAL CB . 10021 1 257 . 1 1 68 68 VAL CG1 C 13 21.9 0.4 . 1 . . . . 68 VAL CG1 . 10021 1 258 . 1 1 68 68 VAL N N 15 117 0.9 . 1 . . . . 68 VAL N . 10021 1 259 . 1 1 69 69 GLY C C 13 175.4 0.4 . 1 . . . . 69 GLY C . 10021 1 260 . 1 1 69 69 GLY CA C 13 46.9 0.4 . 1 . . . . 69 GLY CA . 10021 1 261 . 1 1 69 69 GLY N N 15 107 0.9 . 1 . . . . 69 GLY N . 10021 1 262 . 1 1 70 70 LEU C C 13 178.5 0.4 . 1 . . . . 70 LEU C . 10021 1 263 . 1 1 70 70 LEU CA C 13 57.8 0.4 . 1 . . . . 70 LEU CA . 10021 1 264 . 1 1 70 70 LEU CB C 13 42.1 0.4 . 1 . . . . 70 LEU CB . 10021 1 265 . 1 1 70 70 LEU CG C 13 27.4 0.4 . 1 . . . . 70 LEU CG . 10021 1 266 . 1 1 70 70 LEU CD1 C 13 23.9 0.4 . 1 . . . . 70 LEU CD1 . 10021 1 267 . 1 1 70 70 LEU N N 15 120 0.9 . 1 . . . . 70 LEU N . 10021 1 268 . 1 1 71 71 GLY C C 13 175.4 0.4 . 1 . . . . 71 GLY C . 10021 1 269 . 1 1 71 71 GLY CA C 13 47.7 0.4 . 1 . . . . 71 GLY CA . 10021 1 270 . 1 1 71 71 GLY N N 15 107 0.9 . 1 . . . . 71 GLY N . 10021 1 271 . 1 1 72 72 LEU C C 13 178.5 0.4 . 1 . . . . 72 LEU C . 10021 1 272 . 1 1 72 72 LEU CA C 13 57.8 0.4 . 1 . . . . 72 LEU CA . 10021 1 273 . 1 1 72 72 LEU CB C 13 42.1 0.4 . 1 . . . . 72 LEU CB . 10021 1 274 . 1 1 72 72 LEU CG C 13 27.4 0.4 . 1 . . . . 72 LEU CG . 10021 1 275 . 1 1 72 72 LEU CD1 C 13 23.9 0.4 . 1 . . . . 72 LEU CD1 . 10021 1 276 . 1 1 72 72 LEU N N 15 120 0.9 . 1 . . . . 72 LEU N . 10021 1 277 . 1 1 73 73 TYR CB C 13 37.8 0.4 . 1 . . . . 73 TYR CB . 10021 1 278 . 1 1 73 73 TYR CG C 13 130.7 0.4 . 1 . . . . 73 TYR CG . 10021 1 279 . 1 1 73 73 TYR CD1 C 13 132.6 0.4 . 1 . . . . 73 TYR CD1 . 10021 1 280 . 1 1 73 73 TYR CD2 C 13 132.6 0.4 . 1 . . . . 73 TYR CD2 . 10021 1 281 . 1 1 73 73 TYR CE1 C 13 117.9 0.4 . 1 . . . . 73 TYR CE1 . 10021 1 282 . 1 1 73 73 TYR CE2 C 13 117.9 0.4 . 1 . . . . 73 TYR CE2 . 10021 1 283 . 1 1 74 74 VAL C C 13 178.1 0.4 . 1 . . . . 74 VAL C . 10021 1 284 . 1 1 74 74 VAL CA C 13 66.6 0.4 . 1 . . . . 74 VAL CA . 10021 1 285 . 1 1 74 74 VAL CB C 13 31.6 0.4 . 1 . . . . 74 VAL CB . 10021 1 286 . 1 1 74 74 VAL CG1 C 13 21.9 0.4 . 1 . . . . 74 VAL CG1 . 10021 1 287 . 1 1 75 75 MET CA C 13 60.1 0.4 . 1 . . . . 75 MET CA . 10021 1 288 . 1 1 75 75 MET CB C 13 33.6 0.4 . 1 . . . . 75 MET CB . 10021 1 289 . 1 1 76 76 PHE CA C 13 59.7 0.4 . 1 . . . . 76 PHE CA . 10021 1 290 . 1 1 76 76 PHE CB C 13 43.3 0.4 . 1 . . . . 76 PHE CB . 10021 1 291 . 1 1 76 76 PHE CG C 13 139.3 0.4 . 1 . . . . 76 PHE CG . 10021 1 292 . 1 1 76 76 PHE CD1 C 13 131.5 0.4 . 1 . . . . 76 PHE CD1 . 10021 1 293 . 1 1 76 76 PHE CD2 C 13 131.5 0.4 . 1 . . . . 76 PHE CD2 . 10021 1 294 . 1 1 77 77 ALA C C 13 175.8 0.4 . 1 . . . . 77 ALA C . 10021 1 295 . 1 1 77 77 ALA CA C 13 50.8 0.4 . 1 . . . . 77 ALA CA . 10021 1 296 . 1 1 77 77 ALA CB C 13 21.9 0.4 . 1 . . . . 77 ALA CB . 10021 1 297 . 1 1 78 78 VAL CA C 13 62.0 0.4 . 1 . . . . 78 VAL CA . 10021 1 298 . 1 1 78 78 VAL CB C 13 35.5 0.4 . 1 . . . . 78 VAL CB . 10021 1 299 . 1 1 78 78 VAL CG1 C 13 21.5 0.4 . 1 . . . . 78 VAL CG1 . 10021 1 stop_ save_